Geometry & MOs

Info

ID:	204357
PubChem CID:	79953282
Reduced:	ON2F3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	222.097998
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	4.45
IP(EA), eV:	-9.45(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CC(CCC(F)(F)F)O

DOS

IR

Vibrations